@MOLECULE (1e)-n'-(2,6-diisopropyl-4-phenoxyphenyl)-2,2-dimethylpropanimidamide 58 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8288 -1.0883 -0.7889 O.3 1 UNL1111111111 -0.3111 2 N 2.6087 -0.0462 -0.7724 N.2 1 UNL1111111111 -0.5398 3 N 4.6765 0.7379 -0.3324 N.pl3 1 UNL1111111111 -0.6271 4 C 3.0712 0.8217 1.5982 C.3 1 UNL1111111111 0.0747 5 C 0.7511 -1.5632 -0.3920 C.ar 1 UNL1111111111 -0.0247 6 C 0.3348 0.7495 -1.1052 C.ar 1 UNL1111111111 -0.0200 7 C 1.2274 -0.2700 -0.7017 C.ar 1 UNL1111111111 0.1280 8 C 1.7093 -2.6950 -0.1220 C.3 1 UNL1111111111 -0.0657 9 C 0.8472 2.0788 -1.5982 C.3 1 UNL1111111111 -0.0676 10 C 3.3837 0.4528 0.1382 C.2 1 UNL1111111111 0.3838 11 C -0.6215 -1.8022 -0.3886 C.ar 1 UNL1111111111 -0.2092 12 C -1.0334 0.4934 -1.1033 C.ar 1 UNL1111111111 -0.2303 13 C 4.3084 1.3153 2.3636 C.3 1 UNL1111111111 -0.4611 14 C 2.5201 -0.4194 2.3106 C.3 1 UNL1111111111 -0.4688 15 C 2.0205 1.9388 1.6004 C.3 1 UNL1111111111 -0.4627 16 C -1.4842 -0.7655 -0.7233 C.ar 1 UNL1111111111 0.1689 17 C 1.2449 -3.5828 1.0397 C.3 1 UNL1111111111 -0.4496 18 C 1.8563 -3.5180 -1.4107 C.3 1 UNL1111111111 -0.4395 19 C 0.8795 2.0390 -3.1336 C.3 1 UNL1111111111 -0.4392 20 C -0.0090 3.2512 -1.1029 C.3 1 UNL1111111111 -0.4488 21 C -3.6757 -0.3618 0.0029 C.ar 1 UNL1111111111 0.2557 22 C -3.2692 0.4365 1.0716 C.ar 1 UNL1111111111 -0.2763 23 C -5.0256 -0.5300 -0.3309 C.ar 1 UNL1111111111 -0.2476 24 C -4.2476 1.0881 1.8191 C.ar 1 UNL1111111111 -0.0841 25 C -5.9811 0.1273 0.4337 C.ar 1 UNL1111111111 -0.0869 26 C -5.5966 0.9373 1.5046 C.ar 1 UNL1111111111 -0.2220 27 H 2.7180 -2.2850 0.1417 H 1 UNL1111111111 0.1429 28 H 1.8957 2.2422 -1.2361 H 1 UNL1111111111 0.1492 29 H -1.0229 -2.7833 -0.1429 H 1 UNL1111111111 0.1775 30 H -1.7472 1.2566 -1.4070 H 1 UNL1111111111 0.1764 31 H 4.0377 1.6112 3.3852 H 1 UNL1111111111 0.1540 32 H 5.0759 0.5410 2.4546 H 1 UNL1111111111 0.1406 33 H 4.7531 2.1984 1.8879 H 1 UNL1111111111 0.1570 34 H 2.3423 -0.2184 3.3731 H 1 UNL1111111111 0.1544 35 H 1.5593 -0.7391 1.8832 H 1 UNL1111111111 0.1687 36 H 3.2095 -1.2676 2.2461 H 1 UNL1111111111 0.1486 37 H 2.3574 2.8084 1.0236 H 1 UNL1111111111 0.1552 38 H 1.8064 2.2803 2.6190 H 1 UNL1111111111 0.1520 39 H 1.0681 1.6023 1.1687 H 1 UNL1111111111 0.1660 40 H 0.9863 -2.9861 1.9208 H 1 UNL1111111111 0.1437 41 H 2.0314 -4.2869 1.3308 H 1 UNL1111111111 0.1409 42 H 0.3633 -4.1761 0.7722 H 1 UNL1111111111 0.1502 43 H 0.8958 -3.9329 -1.7349 H 1 UNL1111111111 0.1488 44 H 2.5554 -4.3477 -1.2745 H 1 UNL1111111111 0.1389 45 H 2.2349 -2.8895 -2.2278 H 1 UNL1111111111 0.1557 46 H -0.1168 1.8638 -3.5530 H 1 UNL1111111111 0.1478 47 H 1.2624 2.9765 -3.5463 H 1 UNL1111111111 0.1391 48 H 1.5318 1.2277 -3.4835 H 1 UNL1111111111 0.1558 49 H -0.1607 3.2065 -0.0194 H 1 UNL1111111111 0.1425 50 H 0.4718 4.2079 -1.3336 H 1 UNL1111111111 0.1413 51 H -0.9972 3.2646 -1.5762 H 1 UNL1111111111 0.1495 52 H 5.4456 0.6295 0.2954 H 1 UNL1111111111 0.2878 53 H 4.8772 0.4523 -1.2798 H 1 UNL1111111111 0.3002 54 H -2.2174 0.5454 1.3208 H 1 UNL1111111111 0.1725 55 H -5.3027 -1.1625 -1.1697 H 1 UNL1111111111 0.1717 56 H -3.9532 1.7180 2.6573 H 1 UNL1111111111 0.1452 57 H -7.0375 0.0122 0.1946 H 1 UNL1111111111 0.1472 58 H -6.3522 1.4491 2.0934 H 1 UNL1111111111 0.1499 @BOND 1 1 16 1 2 1 21 1 3 2 7 1 4 2 10 2 5 3 10 1 6 3 52 1 7 3 53 1 8 4 10 1 9 4 13 1 10 4 14 1 11 4 15 1 12 5 7 ar 13 5 8 1 14 5 11 ar 15 6 7 ar 16 6 9 1 17 6 12 ar 18 8 17 1 19 8 18 1 20 8 27 1 21 9 19 1 22 9 20 1 23 9 28 1 24 11 16 ar 25 11 29 1 26 12 16 ar 27 12 30 1 28 13 31 1 29 13 32 1 30 13 33 1 31 14 34 1 32 14 35 1 33 14 36 1 34 15 37 1 35 15 38 1 36 15 39 1 37 17 40 1 38 17 41 1 39 17 42 1 40 18 43 1 41 18 44 1 42 18 45 1 43 19 46 1 44 19 47 1 45 19 48 1 46 20 49 1 47 20 50 1 48 20 51 1 49 21 22 ar 50 21 23 ar 51 22 24 ar 52 22 54 1 53 23 25 ar 54 23 55 1 55 24 26 ar 56 24 56 1 57 25 26 ar 58 25 57 1 59 26 58 1